CID 3040747

Brn 1171530

Structural Information

Molecular Formula
C22H24FN3O2
SMILES
CN1C(=C(OC1=O)CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H24FN3O2/c1-24-21(17-7-9-18(23)10-8-17)20(28-22(24)27)11-12-25-13-15-26(16-14-25)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKey
GHABTHQYUUAJRB-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.18524 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19252 195.8
[M+Na]+ 404.17446 210.6
[M+NH4]+ 399.21906 201.9
[M+K]+ 420.14840 204.1
[M-H]- 380.17796 201.9
[M+Na-2H]- 402.15991 203.6
[M]+ 381.18469 199.6
[M]- 381.18579 199.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.